Information card for entry 7044717

Structure parameters

• Formula: C21 H24 Cl4 N O2 Ta
• Calculated formula: C21 H24 Cl4 N O2 Ta
• SMILES: c12c(cc(cc1c1[n](c3c(cccc3)o1)[Ta](Cl)(Cl)(Cl)(Cl)O2)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and Characterization of Benzotriazole or Benzoxazole Phenoxide Ligands Supported Nb and Ta Metal Complexes and their Application for the Synthesis of Hyperbranched Polyglycerols by Ring-Opening Polymerisation of Glycidol
• Authors of publication: pappuru, sreenath; Chakraborty, Debashis; V, Ramkumar
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 6.3077 ± 0.0015 Å
• b: 10.738 ± 0.003 Å
• c: 18.004 ± 0.005 Å
• α: 96.826 ± 0.01°
• β: 90.66 ± 0.011°
• γ: 97.503 ± 0.011°
• Cell volume: 1200 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No